NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4417 8.3049 120.3495 55.8122 34.7028 176.7747 2 N 4.3121 8.0720 117.5367 56.1026 39.2204 176.0582 3 R 4.2777 7.9610 118.6501 55.5549 28.5330 175.8943 4 G 4.1598 8.5182 110.4032 48.5643 0.0000 172.6655 5 A 4.3857 7.7923 128.0503 50.0491 17.2435 181.7695 6 L 3.1920 8.6179 113.1771 58.2333 44.8844 176.4438 7 I 3.6647 8.6580 120.7154 64.5702 37.0398 178.2994 8 K 4.3043 7.8505 118.3499 59.0543 32.1986 179.0700 9 L 4.0315 7.9517 117.1539 57.8391 41.9099 178.8007 10 V 3.7922 8.1744 119.6550 64.1347 31.2822 177.3432 11 E 4.0492 8.2384 117.7715 59.8040 29.7294 180.6712 12 S 4.0755 7.9649 116.9053 58.0881 61.8204 174.3911 13 R 4.2196 9.5275 116.2083 57.3121 30.1958 177.4637 14 Y 4.5286 7.5236 114.6060 57.9210 40.6878 176.8225 15 V 3.4445 6.7088 111.0488 61.3379 32.1452 176.4337 16 R 4.5624 8.3534 122.7357 56.3246 32.2130 174.8714 17 T 4.5117 7.6721 109.2380 63.4615 73.2430 174.0905 18 D 4.7157 8.1455 119.2295 53.1300 39.7614 175.7813 19 L 4.2567 7.6710 120.6696 53.3404 42.0781 174.3657 20 P 4.2112 0.0000 0.0000 62.4645 31.2937 175.9262 21 E 3.9547 8.7947 125.1648 56.3714 29.8789 175.8445 22 F 5.1308 7.7078 119.7239 55.6664 41.1427 173.1451 23 R 4.4312 8.6000 115.7239 55.2681 31.7448 174.9901 24 P 4.7389 0.0000 0.0000 66.7457 30.7335 177.6135 25 G 3.6685 11.2957 107.7200 45.1553 0.0000 175.5194 26 D 4.3774 8.4170 124.2699 54.2516 45.3826 174.8178 27 T 4.5622 7.1658 123.0965 61.6377 70.9734 172.5011 28 V 4.3405 7.2686 115.9819 63.4304 34.6310 171.8906 29 R 4.5410 9.2777 126.4271 56.2403 32.9674 173.5319 30 V 3.1776 7.6349 115.9502 60.5197 35.6395 173.7386 31 S 4.5274 7.9208 111.9214 58.2567 64.2642 171.0377 32 Y 4.2621 7.0626 115.2606 53.9918 39.7720 172.5440 33 K 3.5953 8.2925 134.9222 55.5031 29.2553 175.7702 34 V 4.3225 8.2217 123.2819 59.9470 30.4586 174.4815 35 K 4.5867 7.4233 124.2630 55.1722 35.8562 176.4631 36 E 3.7478 9.5173 116.3628 56.9344 27.7407 174.1977 37 G 4.0693 8.4615 101.6116 45.5247 0.0000 173.3240 38 N 5.0689 8.3527 115.6647 51.1895 40.9296 174.4088 39 R 4.6324 8.3458 116.8295 56.2256 30.0882 174.5629 40 T 4.6312 7.0692 107.7867 60.6051 72.0997 168.9773 41 R 3.7178 8.6675 128.9524 56.0041 30.9005 175.4309 42 I 4.4175 8.3114 118.4326 59.2573 38.8934 174.5997 43 Q 4.5114 8.8979 129.1227 54.8087 30.9269 174.9499 44 D 4.6995 8.5078 125.5335 53.9838 43.2397 176.8728 45 F 4.9642 8.3052 120.4931 57.8113 41.0606 171.0067 46 E 4.0315 8.4744 123.7385 55.6905 29.3186 175.7134 47 G 3.8455 7.4473 111.3783 45.0990 0.0000 171.8850 48 I 4.2072 8.0506 121.1357 60.8003 38.9158 176.0225 49 V 4.5630 8.2976 125.5570 61.1619 32.3753 176.2797 50 I 4.1026 8.6874 127.2337 62.5544 38.9092 176.0041 51 R 4.7668 7.7063 120.6005 54.8621 33.8077 174.2494 52 I 4.9739 8.3158 125.0656 59.6733 40.1269 174.6220 53 R 4.3639 9.0455 129.5375 55.2190 30.6766 175.7386 54 R 4.5654 8.4379 125.6568 55.1617 31.6887 175.4087 55 N 4.6217 8.8042 119.2640 53.6295 42.5450 176.8179 56 G 3.8784 8.9239 111.7173 45.9745 0.0000 177.8284 57 F 4.5344 9.6373 127.7891 59.4633 41.6217 173.8280 58 N 3.5222 5.7700 114.2431 53.4721 35.4379 173.6626 59 T 4.7574 7.4671 111.4845 60.8649 71.8767 175.2783 60 T 5.4883 8.4089 114.3065 59.8486 72.5751 172.2998 61 F 5.3927 7.7561 113.8731 56.5790 41.1067 173.0517 62 T 5.0848 9.4643 109.9686 60.0571 72.5167 172.7259 63 V 4.9532 8.7884 122.5106 61.2139 35.0505 173.9396 64 R 5.1464 9.2800 128.5677 54.5707 32.0265 174.5977 65 K 4.6119 9.7028 127.8373 54.6451 36.2036 175.2593 66 V 4.3020 8.3812 126.7252 61.8475 31.8668 175.3806 67 S 4.3889 8.8340 125.8057 57.5210 63.8410 175.0784 68 Y 3.4070 7.9768 126.2710 58.8258 36.0610 172.2906 69 G 3.7467 9.1634 112.6101 49.6998 0.0000 174.0015 70 V 3.8135 7.8203 120.1254 62.2587 32.3008 174.2506 71 G 4.4324 8.4028 111.3698 44.4908 0.0000 172.9007 72 V 4.7194 10.6304 122.9516 60.8657 34.8901 173.9794 73 E 5.3617 8.8354 125.3198 54.6593 32.7056 175.4501 74 R 4.3588 9.1222 122.2636 54.3100 33.7903 174.2330 75 I 4.5414 8.1452 124.3921 59.5596 39.0441 174.9524 76 F 5.2353 8.2621 125.9637 55.0108 41.5266 174.9980 77 P 4.2726 0.0000 0.0000 63.1069 31.3127 177.7466 78 L 4.2718 8.5988 118.5023 55.8331 40.9967 172.7340 79 H 4.9091 7.8782 112.4348 56.1847 33.7330 173.0524 80 S 4.1326 9.1727 120.1101 57.2823 60.6709 167.7397 81 P 4.6683 0.0000 0.0000 62.4515 31.7918 177.4415 82 L 4.6444 7.4527 118.0497 53.6056 43.2399 176.9989 83 I 3.7897 8.5091 117.9775 63.2465 37.6574 176.2165 84 Q 4.8598 7.3509 118.2284 54.5344 31.2848 175.9401 85 K 4.3957 8.3696 115.7011 55.9120 33.3166 175.6721 86 I 3.7317 7.9137 119.0303 61.6648 38.3441 173.7331 87 D 5.0149 8.1880 123.5968 53.0942 42.2248 175.7714 88 I 3.6640 8.2160 121.9908 62.8408 37.0105 178.0716 89 V 4.2428 8.8166 135.0000 61.6379 33.6272 175.9778 90 Q 4.0310 9.4479 127.7561 58.9504 28.2665 181.7438 91 R 3.1826 7.7306 113.9184 54.1162 32.7733 180.2565 92 G 3.8375 9.1007 105.0637 45.6150 0.0000 174.2193 93 R 3.7431 9.4942 113.3680 56.4086 28.8372 175.7407 94 A 4.0291 7.5424 121.8187 52.9121 18.1819 179.0028 95 R 4.4239 8.6053 120.8901 57.2080 30.3199 176.6198 96 R 4.6022 7.4903 112.0994 54.0522 32.2637 174.0125 97 A 3.7119 8.2901 118.9083 55.4891 18.3804 177.7913 98 K 4.4974 8.2154 115.0303 54.4419 34.1663 177.7074 99 L 5.1890 7.9977 122.7106 54.3736 40.1259 175.7420 100 Y 4.2733 8.6822 123.9995 60.6827 38.7835 177.7118 101 F 4.4754 8.9326 114.4728 59.3083 37.7863 176.5887 102 I 3.2754 6.9990 114.0251 63.2009 37.0156 176.6075 103 R 3.5971 7.4790 117.2570 60.0202 32.0476 179.0914 104 N 4.1777 8.6928 114.8756 55.8573 37.7824 177.3435 105 L 4.1416 9.1194 132.1453 55.7472 41.4490 176.2833 106 S 4.7591 8.8909 117.0681 55.4589 67.1749 174.2789 107 D 5.1913 8.2517 126.3097 53.4560 36.2945 177.4916 108 R 4.4052 8.2582 115.7242 56.8956 32.3185 179.1297 109 E 3.9934 8.3150 118.2259 59.2608 30.0982 179.0416 110 I 3.6142 8.0470 119.4707 64.4063 37.1396 177.3831 111 R 4.5986 7.6854 114.0950 55.9619 29.2419 176.9092 112 R 4.6054 8.3531 113.6011 56.0315 30.7110 175.9591 113 K 4.4592 8.1440 116.5067 56.7450 33.9124 176.4729 114 L 4.7333 7.3899 117.8842 53.0296 41.1308 175.8674 115 R 4.2153 7.6900 119.9460 54.7908 31.5574 176.4659 116 A 4.1934 8.2668 122.0135 52.8344 19.3969 177.2008 117 D 4.8920 8.0526 116.8085 51.4412 41.2200 176.1873 118 R 3.9101 8.0657 122.5139 59.1938 30.6114 177.8271 119 K 3.9408 8.1570 118.7703 59.8932 31.8396 178.2156 120 R 4.2065 8.1890 116.2521 58.3452 30.6729 178.3886 121 I 3.7726 7.6654 119.4071 64.6659 37.0833 177.3405 122 D 4.3685 9.1884 120.5164 57.9215 40.6713 179.2013 123 Q 4.0202 7.6012 116.8979 59.3186 28.5984 178.3872 124 D 4.5278 8.0455 120.9933 56.9234 40.8618 178.7203 125 R 3.8824 7.9215 116.9578 59.3557 30.4260 178.3526 126 A 4.1637 8.2004 120.2396 55.0848 18.2474 179.1632 127 A 4.4726 7.6277 115.8082 52.7880 17.8747 179.1328 128 E 3.8155 8.2598 120.7837 58.9207 29.5193 177.3382 129 R 3.7116 7.8313 116.9788 56.7531 29.5279 177.2502 130 A 4.4549 8.7466 118.4322 50.7885 17.4613 179.9872 131 A 4.8557 10.4439 121.8358 51.5770 21.2420 177.8170 132 K 4.4675 7.4124 130.9716 53.7461 32.5648 178.5122 133 E 3.6353 9.1943 123.0634 56.1160 28.4393 173.4256 134 E 4.6292 8.0614 121.3001 53.9761 33.8238 175.3953 135 A 5.4153 8.7038 135.0000 54.0601 17.5316 177.4479 136 Q 4.0457 8.0472 115.5494 58.5283 29.0580 175.6824 137 K 4.4646 7.5330 114.4263 54.1408 35.6683 175.3183 *138 A 4.1219 8.4008 122.1897 52.3819 18.7921 176.4789 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.44 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.07 4.31 0.00 2.84 2.86 0.00 0.00 6.91 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.96 4.28 0.00 1.80 1.91 0.00 3.42 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 4 G 8.52 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.79 4.39 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.62 3.19 0.00 1.77 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.66 3.66 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.03 0.92 0.00 0.00 8 K 7.85 4.30 0.00 1.75 1.90 0.00 1.84 0.00 0.00 0.61 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.55 7.81 9 L 7.95 4.03 0.00 1.74 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.17 3.79 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 11 E 8.24 4.05 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 12 S 7.96 4.08 0.00 3.95 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.53 4.22 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 14 Y 7.52 4.53 0.00 2.58 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.71 3.44 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.87 0.00 0.00 16 R 8.35 4.56 0.00 1.82 1.92 0.00 3.75 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 17 T 7.67 4.51 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 18 D 8.15 4.72 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.67 4.26 0.00 1.72 1.76 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 2.08 2.07 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 21 E 8.79 3.95 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 22 F 7.71 5.13 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.60 4.43 0.00 1.89 1.88 0.00 2.95 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 24 P 0.00 4.74 0.00 2.27 2.17 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 25 G 11.30 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.42 4.38 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.17 4.56 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 28 V 7.27 4.34 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.82 0.00 0.00 29 R 9.28 4.54 0.00 1.88 1.76 0.00 3.37 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 30 V 7.63 3.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 31 S 7.92 4.53 0.00 2.97 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.06 4.26 0.00 3.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.29 3.60 0.00 2.08 1.92 0.00 1.66 0.00 0.00 1.47 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.03 1.23 7.81 34 V 8.22 4.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 35 K 7.42 4.59 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 E 9.52 3.75 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 37 G 8.46 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.35 5.07 0.00 2.82 2.87 0.00 0.00 6.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.35 4.63 0.00 1.82 1.96 0.00 3.16 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 40 T 7.07 4.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 R 8.67 3.72 0.00 1.95 1.96 0.00 3.19 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 42 I 8.31 4.42 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.99 0.00 0.00 43 Q 8.90 4.51 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 D 8.51 4.70 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.31 4.96 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.47 4.03 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 47 G 7.45 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.05 4.21 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.87 0.00 0.00 49 V 8.30 4.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.13 0.00 0.00 50 I 8.69 4.10 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.71 0.63 0.00 0.00 51 R 7.71 4.77 0.00 1.52 1.57 0.00 3.07 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 52 I 8.32 4.97 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.93 0.00 0.00 53 R 9.05 4.36 0.00 1.92 1.85 0.00 3.11 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 54 R 8.44 4.57 0.00 1.76 1.86 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 55 N 8.80 4.62 0.00 2.63 2.74 0.00 0.00 7.07 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.64 4.53 0.00 2.87 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 5.77 3.52 0.00 2.63 2.49 0.00 0.00 5.73 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.47 4.76 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 60 T 8.41 5.49 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 61 F 7.76 5.39 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.46 5.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 63 V 8.79 4.95 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.14 0.00 0.00 64 R 9.28 5.15 0.00 1.83 1.68 0.00 3.22 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 65 K 9.70 4.61 0.00 1.22 1.41 0.00 1.64 0.00 0.00 1.33 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.31 7.81 66 V 8.38 4.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 67 S 8.83 4.39 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.98 3.41 0.00 3.20 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.16 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.82 3.81 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 71 G 8.40 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 10.63 4.72 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 73 E 8.84 5.36 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 74 R 9.12 4.36 0.00 1.41 0.74 0.00 3.08 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 75 I 8.15 4.54 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.33 0.82 0.00 0.00 76 F 8.26 5.24 0.00 1.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.27 0.00 2.14 2.00 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 78 L 8.60 4.27 0.00 2.27 2.10 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.88 4.91 0.00 3.25 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.17 4.13 0.00 4.03 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.67 0.00 1.94 1.89 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.30 0.00 82 L 7.45 4.64 0.00 1.61 1.78 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.51 3.79 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.94 0.00 0.00 84 Q 7.35 4.86 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.49 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 85 K 8.37 4.40 0.00 1.73 1.71 0.00 2.02 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 86 I 7.91 3.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.94 0.00 0.00 87 D 8.19 5.01 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.22 3.66 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.76 0.88 0.00 0.00 89 V 8.82 4.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 90 Q 9.45 4.03 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.12 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 91 R 7.73 3.18 0.00 1.87 2.19 0.00 3.30 0.00 0.00 3.22 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 92 G 9.10 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 9.49 3.74 0.00 2.18 2.05 0.00 3.40 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 94 A 7.54 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.61 4.42 0.00 1.78 1.95 0.00 3.36 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 96 R 7.49 4.60 0.00 1.90 1.79 0.00 2.91 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 97 A 8.29 3.71 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.22 4.50 0.00 1.96 2.25 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.57 7.81 99 L 8.00 5.19 0.00 2.26 2.03 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.68 4.27 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.93 4.48 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.00 3.28 1.58 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.41 0.15 0.00 0.00 103 R 7.48 3.60 0.00 1.93 1.96 0.00 3.33 0.00 0.00 3.30 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 104 N 8.69 4.18 0.00 2.75 2.62 0.00 0.00 6.90 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.12 4.14 0.00 1.69 1.70 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.89 4.76 0.00 3.84 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.25 5.19 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.26 4.41 0.00 1.99 2.19 0.00 2.98 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 109 E 8.31 3.99 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 110 I 8.05 3.61 1.82 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.10 0.83 0.00 0.00 111 R 7.69 4.60 0.00 1.93 1.98 0.00 2.99 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 112 R 8.35 4.61 0.00 1.85 2.22 0.00 3.05 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 113 K 8.14 4.46 0.00 2.01 2.10 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.61 7.81 114 L 7.39 4.73 0.00 1.71 1.60 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.69 4.22 0.00 1.81 1.88 0.00 3.39 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 116 A 8.27 4.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.05 4.89 0.00 2.89 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.07 3.91 0.00 1.89 2.27 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 119 K 8.16 3.94 0.00 1.82 2.00 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.58 7.81 120 R 8.19 4.21 0.00 1.79 1.97 0.00 3.24 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 121 I 7.67 3.77 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.93 0.91 0.00 0.00 122 D 9.19 4.37 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.60 4.02 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 124 D 8.05 4.53 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.92 3.88 0.00 1.91 1.99 0.00 3.39 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 126 A 8.20 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.63 4.47 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.26 3.82 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 129 R 7.83 3.71 0.00 2.06 2.13 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 130 A 8.75 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 10.44 4.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.41 4.47 0.00 1.87 0.99 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 133 E 9.19 3.64 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 134 E 8.06 4.63 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 135 A 8.70 5.42 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.05 4.05 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 137 K 7.53 4.46 0.00 1.70 1.64 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81 *138 A 8.40 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.